data_20180912_2-22-3
_audit_creation_date               2019-06-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C25 H38 O7'
_chemical_formula_sum              'C25 H38 O7'
_chemical_formula_weight           450.55
_chemical_absolute_configuration   ad
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             4
_space_group_name_H-M_alt          'P 1 21 1'
_space_group_name_Hall             'P 2yb'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_length_a                     9.5715(2)
_cell_length_b                     13.8018(3)
_cell_length_c                     9.9943(2)
_cell_angle_alpha                  90
_cell_angle_beta                   114.0450(10)
_cell_angle_gamma                  90
_cell_volume                       1205.72(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      22071
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        73.7030
_cell_measurement_theta_min        3.1840
_shelx_estimated_absorpt_T_max     0.868
_shelx_estimated_absorpt_T_min     0.759
_exptl_absorpt_coefficient_mu      0.730
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.65508
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.241
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               488
_exptl_crystal_size_max            0.4
_exptl_crystal_size_mid            0.3
_exptl_crystal_size_min            0.2
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0205
_diffrn_reflns_av_unetI/netI       0.0107
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         16
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         11
_diffrn_reflns_limit_l_min         -11
_diffrn_reflns_number              22452
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.998
_diffrn_reflns_theta_full          65.992
_diffrn_reflns_theta_max           65.992
_diffrn_reflns_theta_min           4.845
_diffrn_ambient_temperature        100.01(10)
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     23.00  88.00   0.50    0.50    --    0.00  38.00-180.00  130
  2  ω    -17.00  19.00   0.50    0.50    --    0.00  38.00-180.00   72
  3  ω     80.00 105.00   0.50    0.50    --   16.00  72.00-120.00   50
  4  ω    -10.00  32.00   0.50    0.50    --   16.00  72.00-120.00   84
  5  ω    -30.00  55.00   0.50    0.50    --   36.00 -46.00 -15.50  170
  6  ω     14.00  59.00   0.50    0.50    --   40.00  72.00  76.03   90
  7  ω     25.00  61.00   0.50    0.50    --   52.00  72.00-124.41   72
  8  ω     34.00  60.00   0.50    0.50    --   56.00  75.00 -42.50   52
  9  ω     30.00  61.00   0.50    0.50    --   56.00  73.00 -70.23   62
 10  ω     92.00 126.00   0.50    0.50    --   56.00  73.00 -70.23   68
 11  ω     85.00 113.00   0.50    0.50    --   60.00  70.00 179.13   56
 12  ω     32.00  62.00   0.50    0.50    --   60.00  75.00  -2.96   60
 13  ω     32.00  61.00   0.50    0.50    --   60.00  74.00 126.55   58
 14  ω     34.00  68.00   0.50    0.50    --   60.00  75.00  68.01   68
 15  ω     38.00  75.00   0.50    0.50    --   60.00  70.00 179.13   74
 16  ω     36.00  66.00   0.50    0.50    --   64.00  75.00 144.26   60
 17  ω     40.00  65.00   0.50    0.50    --   68.00  75.00-157.76   50
 18  ω    136.00 161.00   0.50    0.50    --   72.00  73.00 -48.97   50
 19  ω     46.00  77.00   0.50    0.50    --   72.00  75.00-133.69   62
 20  ω     44.00  86.00   0.50    0.50    --   72.00  75.00  89.20   84
 21  ω     45.00  71.00   0.50    0.50    --   72.00  73.00  46.49   52
 22  ω     45.00  98.00   0.50    0.50    --   72.00  73.00 -48.97  106
 23  ω    135.00 163.00   0.50    0.50    --   76.00  74.00  11.53   56
 24  ω     49.00  78.00   0.50    0.50    --   76.00  74.00  11.53   58
 25  ω     49.00  83.00   0.50    0.50    --   76.00  75.00 -91.67   68
 26  ω    141.00 177.00   0.50    0.50    --   94.60  72.00-143.47   72
 27  ω     67.00 117.00   0.50    0.50    --   94.60  72.00-143.47  100
 28  ω     37.00 113.00   0.50    0.50    --   94.60 -61.00-180.00  152
 29  ω     71.00 102.00   0.50    0.50    --   94.60  61.00 -90.00   62
 30  ω    106.00 134.00   0.50    0.50    --   94.60  61.00 -90.00   56
 31  ω     71.00 125.00   0.50    0.50    --   94.60  61.00  90.00  108
 32  ω     68.00 161.00   0.50    0.50    --   94.60  70.00  45.05  186
 33  ω     79.00 142.00   0.50    0.50    --   94.60  77.00 150.00  126
 34  ω     84.00 179.00   0.50    0.50    --   94.60  45.00 -90.00  190
 35  ω      7.00 117.00   0.50    0.50    --   94.60 -82.00 -60.00  220
 36  ω     49.00 113.00   0.50    0.50    --   94.60 -82.00-180.00  128
 37  ω     69.00 174.00   0.50    0.50    --   94.60  66.00-165.83  210
 38  ω      5.00 126.00   0.50    0.50    --   94.60 -82.00  60.00  242
 39  ω     73.00 161.00   0.50    0.50    --   94.60  61.00  30.00  176
 40  ω      5.00 104.00   0.50    0.50    --   94.60 -61.00 -60.00  198
 41  ω     67.00 171.00   0.50    0.50    --   94.60  72.00 -44.89  208
 42  ω     74.00 156.00   0.50    0.50    --   94.60  61.00 -60.00  164
 43  ω     73.00 167.00   0.50    0.50    --   94.60  63.00 141.52  188
 44  ω     71.00 148.00   0.50    0.50    --   94.60  61.00 120.00  154
 45  ω     35.00 113.00   0.50    0.50    --   94.60 -61.00  60.00  156
 46  ω     73.00 167.00   0.50    0.50    --   94.60  68.00 -21.80  188
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_reflns_Friedel_coverage           0.909
_reflns_Friedel_fraction_full      0.996
_reflns_Friedel_fraction_max       0.996
_reflns_number_gt                  4200
_reflns_number_total               4203
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max           0.168
_refine_diff_density_min           -0.134
_refine_diff_density_rms           0.032
_refine_ls_abs_structure_details
;
 Flack x determined using 1988 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     -0.02(4)
_refine_ls_extinction_coef         0.0226(10)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref     1.066
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       299
_refine_ls_number_reflns           4203
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0236
_refine_ls_R_factor_gt             0.0235
_refine_ls_restrained_S_all        1.066
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0365P)²+0.2300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0607
_refine_ls_wR_factor_ref           0.0607
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C6(H6), C9(H9), C11(H11), C18(H18), C21(H21), C24(H24)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C10(H10A,H10B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C13(H13)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C)
2.e Idealised tetrahedral OH refined as rotating group:
 O5'(H5'), O9'(H9')
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 C1 C 0.44427(19) 0.23132(12) 0.83187(18) 0.0138(4) Uani 1 1 d . . . . .
 C2 C 0.40507(19) 0.33692(12) 0.78223(18) 0.0142(3) Uani 1 1 d . . . . .
 H2A H 0.4568 0.3797 0.8678 0.017 Uiso 1 1 calc R . . . .
 H2B H 0.4476 0.3519 0.7094 0.017 Uiso 1 1 calc R . . . .
 C3 C 0.23436(19) 0.36160(12) 0.71494(19) 0.0143(3) Uani 1 1 d . . . . .
 H3A H 0.1935 0.3517 0.7904 0.017 Uiso 1 1 calc R . . . .
 H3B H 0.1813 0.3154 0.6343 0.017 Uiso 1 1 calc R . . . .
 C4 C 0.19494(18) 0.46516(12) 0.65469(18) 0.0143(3) Uani 1 1 d . . . . .
 H4 H 0.0823 0.4725 0.6247 0.017 Uiso 1 1 calc R . . . .
 C5 C 0.22330(19) 0.48709(12) 0.51706(19) 0.0140(3) Uani 1 1 d . . . . .
 C6 C 0.15721(19) 0.41198(12) 0.39150(18) 0.0128(3) Uani 1 1 d . . . . .
 H6 H 0.0587 0.3866 0.3899 0.015 Uiso 1 1 calc R . . . .
 C7 C 0.26200(18) 0.32791(12) 0.40666(17) 0.0126(3) Uani 1 1 d . . . . .
 H7 H 0.3656 0.3434 0.4280 0.015 Uiso 1 1 calc R . . . .
 C8 C 0.22662(19) 0.23408(12) 0.39362(17) 0.0130(3) Uani 1 1 d . . . . .
 C9 C 0.35548(19) 0.15904(12) 0.43747(18) 0.0130(3) Uani 1 1 d . . . . .
 H9 H 0.3099 0.0926 0.4195 0.016 Uiso 1 1 calc R . . . .
 C10 C 0.46314(18) 0.16893(12) 0.59984(17) 0.0129(3) Uani 1 1 d . . . . .
 H10A H 0.5123 0.2335 0.6159 0.015 Uiso 1 1 calc R . . . .
 H10B H 0.5449 0.1196 0.6242 0.015 Uiso 1 1 calc R . . . .
 C11 C 0.38278(19) 0.15690(12) 0.70538(18) 0.0123(3) Uani 1 1 d . . . . .
 H11 H 0.2720 0.1719 0.6480 0.015 Uiso 1 1 calc R . . . .
 C12 C 0.39139(18) 0.05509(12) 0.76822(18) 0.0130(3) Uani 1 1 d . . . . .
 C13 C 0.37182(19) 0.04553(13) 0.89277(18) 0.0145(3) Uani 1 1 d . . . . .
 H13 H 0.3763 -0.0175 0.9324 0.017 Uiso 1 1 calc R . . . .
 C14 C 0.34395(18) 0.12779(13) 0.97029(18) 0.0146(4) Uani 1 1 d . . . . .
 C15 C 0.6159(2) 0.22124(13) 0.92104(19) 0.0163(4) Uani 1 1 d . . . . .
 H15A H 0.6707 0.2454 0.8636 0.025 Uiso 1 1 calc GR . . . .
 H15B H 0.6414 0.1529 0.9453 0.025 Uiso 1 1 calc GR . . . .
 H15C H 0.6460 0.2590 1.0116 0.025 Uiso 1 1 calc GR . . . .
 C16 C 0.2709(2) 0.54190(13) 0.7738(2) 0.0178(4) Uani 1 1 d . . . . .
 H16A H 0.2452 0.5291 0.8576 0.027 Uiso 1 1 calc GR . . . .
 H16B H 0.2337 0.6064 0.7342 0.027 Uiso 1 1 calc GR . . . .
 H16C H 0.3821 0.5392 0.8056 0.027 Uiso 1 1 calc GR . . . .
 C17 C 0.0672(2) 0.19343(13) 0.3444(2) 0.0197(4) Uani 1 1 d . . . . .
 H17A H 0.0591 0.1567 0.4249 0.030 Uiso 1 1 calc GR . . . .
 H17B H 0.0460 0.1505 0.2603 0.030 Uiso 1 1 calc GR . . . .
 H17C H -0.0070 0.2466 0.3162 0.030 Uiso 1 1 calc GR . . . .
 C18 C 0.4096(2) -0.03389(12) 0.68768(19) 0.0158(4) Uani 1 1 d . . . . .
 H18 H 0.4660 -0.0145 0.6268 0.019 Uiso 1 1 calc R . . . .
 C19 C 0.2519(2) -0.07249(16) 0.5848(2) 0.0292(5) Uani 1 1 d . . . . .
 H19A H 0.1988 -0.0979 0.6429 0.044 Uiso 1 1 calc GR . . . .
 H19B H 0.2646 -0.1244 0.5238 0.044 Uiso 1 1 calc GR . . . .
 H19C H 0.1916 -0.0198 0.5220 0.044 Uiso 1 1 calc GR . . . .
 C20 C 0.5005(3) -0.11397(15) 0.7923(2) 0.0288(5) Uani 1 1 d . . . . .
 H20A H 0.5991 -0.0881 0.8610 0.043 Uiso 1 1 calc GR . . . .
 H20B H 0.5180 -0.1672 0.7362 0.043 Uiso 1 1 calc GR . . . .
 H20C H 0.4428 -0.1380 0.8470 0.043 Uiso 1 1 calc GR . . . .
 C21 C 0.12120(19) 0.47716(13) 0.25666(18) 0.0144(3) Uani 1 1 d . . . . .
 H21 H 0.2171 0.4932 0.2441 0.017 Uiso 1 1 calc R . . . .
 C22 C 0.0033(2) 0.43492(12) 0.1173(2) 0.0157(4) Uani 1 1 d . . . . .
 C23 C -0.0907(2) 0.43418(15) -0.1397(2) 0.0249(4) Uani 1 1 d . . . . .
 H23A H -0.0628 0.4557 -0.2191 0.037 Uiso 1 1 calc GR . . . .
 H23B H -0.1886 0.4633 -0.1523 0.037 Uiso 1 1 calc GR . . . .
 H23C H -0.1000 0.3634 -0.1423 0.037 Uiso 1 1 calc GR . . . .
 C24 C 0.05739(19) 0.56800(13) 0.30168(19) 0.0154(3) Uani 1 1 d . . . . .
 H24 H -0.0524 0.5563 0.2819 0.018 Uiso 1 1 calc R . . . .
 C25 C 0.0690(2) 0.66210(14) 0.2295(2) 0.0209(4) Uani 1 1 d . . . . .
 H25A H 0.1765 0.6755 0.2509 0.031 Uiso 1 1 calc GR . . . .
 H25B H 0.0272 0.7149 0.2676 0.031 Uiso 1 1 calc GR . . . .
 H25C H 0.0107 0.6568 0.1233 0.031 Uiso 1 1 calc GR . . . .
 O1' O 0.36702(14) 0.21704(8) 0.93207(12) 0.0147(3) Uani 1 1 d . . . . .
 O5' O 0.37948(13) 0.49896(9) 0.54663(14) 0.0159(3) Uani 1 1 d . . . . .
 H5' H 0.4098 0.5529 0.5869 0.024 Uiso 1 1 calc GR . . . .
 O9' O 0.45160(13) 0.16981(9) 0.35963(13) 0.0154(3) Uani 1 1 d . . . . .
 H9' H 0.3984 0.1646 0.2692 0.023 Uiso 1 1 calc GR . . . .
 O14' O 0.29739(14) 0.11841(9) 1.06686(13) 0.0191(3) Uani 1 1 d . . . . .
 O22' O -0.10261(15) 0.38517(10) 0.11034(14) 0.0224(3) Uani 1 1 d . . . . .
 O23' O 0.02668(14) 0.46383(9) -0.00019(14) 0.0204(3) Uani 1 1 d . . . . .
 O24' O 0.14386(14) 0.57529(9) 0.45747(13) 0.0184(3) Uani 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 C1 C2 1.536(2) . ?
 C1 C11 1.547(2) . ?
 C1 C15 1.523(2) . ?
 C1 O1' 1.4804(19) . ?
 C2 C3 1.531(2) . ?
 C3 C4 1.537(2) . ?
 C4 C5 1.537(2) . ?
 C4 C16 1.537(2) . ?
 C5 C6 1.550(2) . ?
 C5 O5' 1.410(2) . ?
 C5 O24' 1.430(2) . ?
 C6 C7 1.501(2) . ?
 C6 C21 1.538(2) . ?
 C7 C8 1.331(2) . ?
 C8 C9 1.531(2) . ?
 C8 C17 1.508(2) . ?
 C9 C10 1.533(2) . ?
 C9 O9' 1.4342(19) . ?
 C10 C11 1.547(2) . ?
 C11 C12 1.528(2) . ?
 C12 C13 1.339(2) . ?
 C12 C18 1.517(2) . ?
 C13 C14 1.459(2) . ?
 C14 O1' 1.334(2) . ?
 C14 O14' 1.224(2) . ?
 C18 C19 1.534(3) . ?
 C18 C20 1.527(3) . ?
 C21 C22 1.508(2) . ?
 C21 C24 1.540(2) . ?
 C22 O22' 1.202(2) . ?
 C22 O23' 1.343(2) . ?
 C23 O23' 1.448(2) . ?
 C24 C25 1.511(3) . ?
 C24 O24' 1.438(2) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C2 C1 C11 113.86(13) . . ?
 C15 C1 C2 109.81(14) . . ?
 C15 C1 C11 112.21(14) . . ?
 O1' C1 C2 102.78(13) . . ?
 O1' C1 C11 109.62(13) . . ?
 O1' C1 C15 108.00(13) . . ?
 C3 C2 C1 115.44(14) . . ?
 C2 C3 C4 115.26(14) . . ?
 C3 C4 C16 111.97(14) . . ?
 C5 C4 C3 115.41(13) . . ?
 C5 C4 C16 110.94(14) . . ?
 C4 C5 C6 115.48(14) . . ?
 O5' C5 C4 113.21(13) . . ?
 O5' C5 C6 107.18(13) . . ?
 O5' C5 O24' 109.07(13) . . ?
 O24' C5 C4 106.41(13) . . ?
 O24' C5 C6 105.06(13) . . ?
 C7 C6 C5 113.57(13) . . ?
 C7 C6 C21 116.28(14) . . ?
 C21 C6 C5 100.95(13) . . ?
 C8 C7 C6 127.54(15) . . ?
 C7 C8 C9 119.12(15) . . ?
 C7 C8 C17 125.25(15) . . ?
 C17 C8 C9 115.57(15) . . ?
 C8 C9 C10 110.99(13) . . ?
 O9' C9 C8 113.24(13) . . ?
 O9' C9 C10 105.18(13) . . ?
 C9 C10 C11 113.93(13) . . ?
 C10 C11 C1 110.89(13) . . ?
 C12 C11 C1 109.63(13) . . ?
 C12 C11 C10 114.88(13) . . ?
 C13 C12 C11 117.93(15) . . ?
 C13 C12 C18 120.24(16) . . ?
 C18 C12 C11 121.68(14) . . ?
 C12 C13 C14 122.84(16) . . ?
 O1' C14 C13 118.61(14) . . ?
 O14' C14 C13 122.73(16) . . ?
 O14' C14 O1' 118.64(15) . . ?
 C12 C18 C19 110.02(14) . . ?
 C12 C18 C20 112.28(15) . . ?
 C20 C18 C19 109.77(17) . . ?
 C6 C21 C24 101.20(14) . . ?
 C22 C21 C6 113.54(14) . . ?
 C22 C21 C24 110.36(14) . . ?
 O22' C22 C21 124.78(16) . . ?
 O22' C22 O23' 123.80(16) . . ?
 O23' C22 C21 111.35(14) . . ?
 C25 C24 C21 116.44(15) . . ?
 O24' C24 C21 104.56(13) . . ?
 O24' C24 C25 109.56(14) . . ?
 C14 O1' C1 120.20(13) . . ?
 C22 O23' C23 114.70(14) . . ?
 C5 O24' C24 111.41(13) . . ?

loop_
  _geom_hbond_atom_site_label_D
  _geom_hbond_atom_site_label_H
  _geom_hbond_atom_site_label_A
  _geom_hbond_distance_DH
  _geom_hbond_distance_HA
  _geom_hbond_distance_DA
  _geom_hbond_angle_DHA
  _geom_hbond_site_symmetry_A
 O5' H5' O9' 0.84 2.02 2.7960(17) 153.8 2_656
 O9' H9' O14' 0.84 1.96 2.7793(17) 165.0 1_554


_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
